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Title: Materials Data on Ca3Zn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204890· OSTI ID:1204890

Ca3Zn crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ca3Zn sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted L-shaped geometry to two equivalent Zn atoms. Both Ca–Zn bond lengths are 3.13 Å. In the second Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Zn atoms. There are two shorter (3.16 Å) and one longer (3.44 Å) Ca–Zn bond lengths. Zn is bonded in a 8-coordinate geometry to eight Ca atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1204890
Report Number(s):
mp-30485
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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